2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid

C13H19NO5S2 — CID 61221701

IUPAC2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCN(CC1CCCCO1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C13H19NO5S2/c1-14(9-10-4-2-3-7-19-10)21(17,18)13-6-5-11(20-13)8-12(15)16/h5-6,10H,2-4,7-9H2,1H3,(H,15,16)
InChIKeyOADLLHIEZYCVNJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.56
Rot. Bonds6

About 2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 61221701) has the molecular formula C13H19NO5S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID61221701
Molecular FormulaC13H19NO5S2
Molecular Weight333.43 g/mol
Exact Mass333.07
IUPAC Name2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCN(CC1CCCCO1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C13H19NO5S2/c1-14(9-10-4-2-3-7-19-10)21(17,18)13-6-5-11(20-13)8-12(15)16/h5-6,10H,2-4,7-9H2,1H3,(H,15,16)
InChIKeyOADLLHIEZYCVNJ-UHFFFAOYSA-N
XLogP1.56
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-aminoethyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
CID 61436431
2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63713763
2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43213263
5-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 61060142
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid
CID 79386899
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 45299021
5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63329006
5-amino-N-methyl-4-nitro-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
CID 80730050
5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80579987
4-amino-2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 102931122

Frequently Asked Questions

What is the IUPAC name of 2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 61221701) is 2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid is CN(CC1CCCCO1)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is OADLLHIEZYCVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S2/c1-14(9-10-4-2-3-7-19-10)21(17,18)13-6-5-11(20-13)8-12(15)16/h5-6,10H,2-4,7-9H2,1H3,(H,15,16).
What are the key properties of 2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 333.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 61221701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).